Unsupervised classification of single-particle X-ray diffraction snapshots by spectral clustering

被引：57

作者：

Yoon, Chun Hong ^{[1
]}

Schwander, Peter ^{[1
]}

Abergel, Chantal ^{[2
]}

Andersson, Inger ^{[3
]}

Andreasson, Jakob ^{[4
]}

Aquila, Andrew ^{[5
]}

Bajt, Sasa ^{[5
]}

Barthelmess, Miriam ^{[5
]}

Barty, Anton ^{[6
]}

Bogan, Michael J. ^{[7
]}

Bostedt, Christoph ^{[8
]}

Bozek, John ^{[8
]}

Chapman, Henry N. ^{[6
,9
]}

Claverie, Jean-Michel ^{[2
]}

Coppola, Nicola ^{[10
]}

DePonte, Daniel P. ^{[6
]}

Ekeberg, Tomas ^{[3
]}

Epp, Sascha W. ^{[11
,12
]}

Erk, Benjamin ^{[11
,12
]}

Fleckenstein, Holger ^{[6
]}

Foucar, Lutz ^{[11
,13
]}

Graafsma, Heinz ^{[5
]}

Gumprecht, Lars ^{[6
]}

Hajdu, Janos ^{[3
]}

Hampton, Christina Y. ^{[7
]}

Hartmann, Andreas ^{[14
]}

Hartmann, Elisabeth ^{[13
]}

Hartmann, Robert ^{[14
]}

Hauser, Gunter ^{[15
,16
]}

Hirsemann, Helmut ^{[5
]}

Holl, Peter ^{[14
]}

Kassemeyer, Stephan ^{[11
,13
]}

Kimmel, Nils ^{[15
,16
]}

Kiskinova, Maya ^{[17
]}

Liang, Mengning ^{[6
]}

Loh, Ne-Te Duane ^{[7
]}

Lomb, Lukas ^{[11
,13
]}

Maia, Filipe R. N. C. ^{[18
]}

Martin, Andrew V. ^{[6
]}

Nass, Karol ^{[6
]}

Pedersoli, Emanuele ^{[17
]}

Reich, Christian ^{[14
]}

Rolles, Daniel ^{[11
,13
]}

Rudek, Benedikt ^{[11
,12
]}

Rudenko, Artem ^{[11
,12
]}

Schlichting, Ilme ^{[11
,13
]}

Schulz, Joachim ^{[6
]}

Seibert, Marvin ^{[3
]}

Seltzer, Virginie ^{[2
]}

Shoeman, Robert L. ^{[11
,13
]}

机构：

[1] Univ Wisconsin, Dept Phys, Milwaukee, WI 53211 USA

[2] Aix Marseille Univ, CNRS, UPR2589, Inst Microbiol Mediterranee, F-13288 Marseille 9, France

[3] Swedish Univ Agr Sci, Uppsala Biomed Ctr, Dept Mol Biol, S-75124 Uppsala, Sweden

[4] Uppsala Univ, Dept Cell & Mol Biol, Lab Mol Biophys, SE-75124 Uppsala, Sweden

[5] DESY, D-22607 Hamburg, Germany

[6] Univ Hamburg, Ctr Free Elect Laser Sci, DESY, D-22607 Hamburg, Germany

[7] SLAC Natl Accelerator Lab, PULSE Inst, Menlo Pk, CA 94025 USA

[8] SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA

[9] Univ Hamburg, D-22761 Hamburg, Germany

[10] European XFEL GmbH, D-22761 Hamburg, Germany

[11] Ctr Free Electron Laser Sci, Max Planck Adv Study Grp, D-22607 Hamburg, Germany

[12] Max Planck Inst Kernphys, D-69117 Heidelberg, Germany

[13] Max Planck Inst Med Res, D-69120 Heidelberg, Germany

[14] PNSensor GmbH, D-80803 Munich, Germany

[15] Max Planck Inst Extraterr Phys, D-85741 Garching, Germany

[16] Max Planck Inst Halbleiterlab, D-81739 Munich, Germany

[17] Elettra Sincrotrone Trieste, Fermi, I-34149 Trieste, Italy

[18] Univ Calif Berkeley, Lawrence Berkeley Lab, NERSC, Berkeley, CA 94720 USA

来源：

OPTICS EXPRESS | 2011年 / 19卷 / 17期

关键词：

D O I：

10.1364/OE.19.016542

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Single-particle experiments using X-ray Free Electron Lasers produce more than 10(5) snapshots per hour, consisting of an admixture of blank shots (no particle intercepted), and exposures of one or more particles. Experimental data sets also often contain unintentional contamination with different species. We present an unsupervised method able to sort experimental snapshots without recourse to templates, specific noise models, or user-directed learning. The results show 90% agreement with manual classification. (C) 2011 Optical Society of America

引用

页码：16542 / 16549

页数：8

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